2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide

C18H29N3O3 — CID 131685766

IUPAC2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
SMILESCc1noc(C)c1CN1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NC(C)C)C1
InChIInChI=1S/C18H29N3O3/c1-11(2)19-18(22)7-17-15-5-6-21(8-14(15)10-23-17)9-16-12(3)20-24-13(16)4/h11,14-15,17H,5-10H2,1-4H3,(H,19,22)/t14-,15-,17+/m1/s1
InChIKeyJPFDKGKIYJRQDI-INMHGKMJSA-N
MW335.45 g/mol
LogP2.04
Rot. Bonds5

About 2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide

2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide (PubChem CID 131685766) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
PubChem CID131685766
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
SMILESCc1noc(C)c1CN1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NC(C)C)C1
InChIInChI=1S/C18H29N3O3/c1-11(2)19-18(22)7-17-15-5-6-21(8-14(15)10-23-17)9-16-12(3)20-24-13(16)4/h11,14-15,17H,5-10H2,1-4H3,(H,19,22)/t14-,15-,17+/m1/s1
InChIKeyJPFDKGKIYJRQDI-INMHGKMJSA-N
XLogP2.04
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
CID 131685568
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 75527495
(2R)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 98042032
(2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155833584
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
ethyl N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 94154330
1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95211190
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylacetamide
CID 171146257
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925596
(3R,4R)-4-(cyclopentylamino)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-ol
CID 118781597
N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide
CID 175648462
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-3-carbaldehyde
CID 62654932

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide (CID 131685766) is 2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide is Cc1noc(C)c1CN1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NC(C)C)C1.
What is the InChIKey of 2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is JPFDKGKIYJRQDI-INMHGKMJSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-11(2)19-18(22)7-17-15-5-6-21(8-14(15)10-23-17)9-16-12(3)20-24-13(16)4/h11,14-15,17H,5-10H2,1-4H3,(H,19,22)/t14-,15-,17+/m1/s1.
What are the key properties of 2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide?
2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 335.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 131685766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).